Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenosine receptor A3' and Ligand = 'BDBM434803'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434803 (US10577368, Compound 101) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC)nc(nc12)C#Cc1nccs1 |r| Show InChI InChI=1S/C19H19N7O3S/c1-20-16-12-17(25-10(24-16)3-4-11-22-5-6-30-11)26(8-23-12)13-9-7-19(9,18(29)21-2)15(28)14(13)27/h5-6,8-9,13-15,27-28H,7H2,1-2H3,(H,21,29)(H,20,24,25)/t9?,13-,14+,15?,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM434803 (US10577368, Compound 101) Show SMILES CNC(=O)[C@]12CC1[C@H]([C@H](O)C2O)n1cnc2c(NC)nc(nc12)C#Cc1nccs1 |r| Show InChI InChI=1S/C19H19N7O3S/c1-20-16-12-17(25-10(24-16)3-4-11-22-5-6-30-11)26(8-23-12)13-9-7-19(9,18(29)21-2)15(28)14(13)27/h5-6,8-9,13-15,27-28H,7H2,1-2H3,(H,21,29)(H,20,24,25)/t9?,13-,14+,15?,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The United States of America, as represented by the Secretary, Department of Health and Human Services; Saint Louis University US Patent					Assay Description [3H]R—N6-Phenylisopropyladenosine (40, [3H]R-PIA, 63 Ci/mmol), [3H](2-[p-(2-carboxyethyl)phenyl-ethylamino]-5′-N-ethylcarboxamido-adenosine) (4...				US Patent US10577368 (2020) BindingDB Entry DOI: 10.7270/Q2HH6NGV
					More data for this Ligand-Target Pair